Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM50335879'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50335879 (3-(1-(4-(cyclohexylamino)-4-oxobutyl)-1H-1,2,3-tri...) Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)NC2CCCCC2)nn1)C(O)=O Show InChI InChI=1S/C28H30N4O5/c1-17-9-11-18(12-10-17)27-26(21-14-20(28(35)36)23(33)15-24(21)37-27)22-16-32(31-30-22)13-5-8-25(34)29-19-6-3-2-4-7-19/h9-12,14-16,19,33H,2-8,13H2,1H3,(H,29,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP				J Med Chem 54: 562-71 (2011) Article DOI: 10.1021/jm101004d BindingDB Entry DOI: 10.7270/Q2N016T4
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